(1-methanimidoyl-2-methyl-2-pyridinyl)azanium

C7H12N3+ — CID 163904762

IUPAC(1-methanimidoyl-2-methyl-2-pyridinyl)azanium
SMILES[H]/N=C/N1C=CC=CC1(C)[NH3+]
InChIInChI=1S/C7H11N3/c1-7(9)4-2-3-5-10(7)6-8/h2-6,8H,9H2,1H3/p+1/b8-6+
InChIKeyQMZCAGWZRGAXKP-SOFGYWHQSA-O
MW138.19 g/mol
LogP-0.06
Rot. Bonds1

About (1-methanimidoyl-2-methyl-2-pyridinyl)azanium

(1-methanimidoyl-2-methyl-2-pyridinyl)azanium (PubChem CID 163904762) has the molecular formula C7H12N3+ and a molecular weight of 138.19 g/mol. Its IUPAC name is (1-methanimidoyl-2-methyl-2-pyridinyl)azanium.

Molecular Properties

Compound Name(1-methanimidoyl-2-methyl-2-pyridinyl)azanium
PubChem CID163904762
Molecular FormulaC7H12N3+
Molecular Weight138.19 g/mol
Exact Mass138.10
IUPAC Name(1-methanimidoyl-2-methyl-2-pyridinyl)azanium
SMILES[H]/N=C/N1C=CC=CC1(C)[NH3+]
InChIInChI=1S/C7H11N3/c1-7(9)4-2-3-5-10(7)6-8/h2-6,8H,9H2,1H3/p+1/b8-6+
InChIKeyQMZCAGWZRGAXKP-SOFGYWHQSA-O
XLogP-0.06
TPSA54.73 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,2-Dimethylpyridine-2,5-diamine
CID 69986740
1,2-Dimethylpyridin-2-amine
CID 153972177
(5-Methyl-2-methylidene-1-pyridinyl)methanimine
CID 155372104
1-methanimidoyl-2H-pyridin-2-amine
CID 170061290
[(2E)-2-butylidene-1-pyridinyl]methanimine
CID 174321614
N-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]-N-methylmethanimidamide
CID 143160360
1-Methanimidoyl-2-methylpyridin-2-amine
CID 163904763

Frequently Asked Questions

What is the IUPAC name of (1-methanimidoyl-2-methyl-2-pyridinyl)azanium?
The IUPAC name of (1-methanimidoyl-2-methyl-2-pyridinyl)azanium (CID 163904762) is (1-methanimidoyl-2-methyl-2-pyridinyl)azanium.
What is the SMILES notation for (1-methanimidoyl-2-methyl-2-pyridinyl)azanium?
The canonical SMILES for (1-methanimidoyl-2-methyl-2-pyridinyl)azanium is [H]/N=C/N1C=CC=CC1(C)[NH3+].
What is the InChIKey of (1-methanimidoyl-2-methyl-2-pyridinyl)azanium?
The InChIKey is QMZCAGWZRGAXKP-SOFGYWHQSA-O. The full InChI is InChI=1S/C7H11N3/c1-7(9)4-2-3-5-10(7)6-8/h2-6,8H,9H2,1H3/p+1/b8-6+.
What are the key properties of (1-methanimidoyl-2-methyl-2-pyridinyl)azanium?
(1-methanimidoyl-2-methyl-2-pyridinyl)azanium has a molecular weight of 138.19 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methanimidoyl-2-methyl-2-pyridinyl)azanium is sourced from PubChem (CID 163904762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).